GRADE & PURITY ≥98%(HPLC)

Synonyms

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-methylethyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Methyl-8-azabicyclo-(3.2.1)oct-3-yl)-2,3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2, 3-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-methylethyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Methyl-8-azabicyclo-(3.2.1)oct-3-yl)-2, 3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent 5-HT4receptor full agonist (KD= 77 nM and EC50= 18 nM for wild type 5-HT4receptors). Binds to receptors in a mechanism different to that of the endogenous ligand 5-HT.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C.Cl
• IUPAC Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide;hydrochloride
• InChIKey: NQYXXIUVFVOJCX-XZPOUAKSSA-N
• INCHI: 1S/C19H26N4O2.ClH/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3;/h4-7,12-15H,8-11H2,1-3H3,(H,20,24);1H/t13?,14-,15+
• Isomeric SMILES: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C.Cl
• Molecular Weight: 378.9
• Reaxy-Rn: 25080312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25080312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Benzimidazoles Carbonylimidazoles Piperidines N-substituted imidazoles N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Tropane alkaloid - Imidazole-1-carbonyl group - N-substituted imidazole - Piperidine - Benzenoid - N-alkylpyrrolidine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Urea - Organoheterocyclic compound - Azacycle - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 28.42, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 37.89, Max Conc. mM: 100
• Molecular Weight: 378.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 378.182 Da
• Monoisotopic Mass: 378.182 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 538.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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